| CAS Number | 942473-98-5 |
| Catalog Number | AG01EZF6(AGN-PC-3H48JL) |
| Chemical Name | 2-Amino-6-bromo-5,7-difluorobenzothiazole |
| IUPAC Name | 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C7H3BrF2N2S/c8-4-2(9)1-3-6(5(4)10)13-7(11)12-3/h1H,(H2,11,12) |
| InChI Key | CBPDGHHPFIGTAP-UHFFFAOYSA-N |
| MDL Number | MFCD09475490 |
| Molecular Formula | C7H3BrF2N2S |
| Molecular Weight | 265.0779 |
| SMILES | C1(SC2C(=CC(F)=C(Br)C=2F)N=1)N |
| Synonyms | 2-Amino-6-bromo-5,7-difluorobenzothiazole,
942473-98-5,
SCHEMBL17839794,
CTK7E1018,
DTXSID60650181,
ZINC15442804,
6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.917g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.076g/mol |
| Monoisotopic Mass | 263.917g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number